HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4363",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4361",
"results": [
{
"id": "jvasp-57298",
"created_at": "2022-09-04T14:38:12.566793Z",
"updated_at": "2022-09-04T14:38:12.566811Z",
"structure_string": "K4 Fe2 C8 O8\n1.0\n5.453307 0.000000 1.305504\n2.726654 5.677403 0.652752\n0.072382 0.000000 11.737301\nK Fe C O\n4 2 8 8\ndirect\n0.447070 0.749998 0.105901 K\n0.802931 0.749998 0.394098 K\n0.197068 0.250002 0.605901 K\n0.552930 0.250002 0.894098 K\n0.125005 0.749989 0.750000 Fe\n0.874995 0.250010 0.250000 Fe\n0.795385 0.100033 0.159237 C\n0.104582 0.100033 0.340763 C\n0.445370 0.600012 0.659257 C\n0.045383 0.399987 0.159257 C\n0.204615 0.899966 0.840763 C\n0.895418 0.899966 0.659237 C\n0.554629 0.399987 0.340743 C\n0.954617 0.600012 0.840743 C\n0.667106 0.509545 0.597240 O\n0.264334 0.009557 0.402769 O\n0.176650 0.490455 0.097241 O\n0.735666 0.990442 0.597230 O\n0.273890 0.990442 0.902769 O\n0.823349 0.509545 0.902759 O\n0.726110 0.009557 0.097230 O\n0.332894 0.490455 0.402759 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-K-O",
"density": 2.2522814500901687,
"density_atomic": 0.06062983688808569,
"volume": 362.8576478048088,
"volume_molar": 9.932635595104832,
"formula_full": "K4 Fe2 C8 O8",
"formula_reduced": "K2Fe(CO)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 3.795845954545454,
"spacegroup": 70
},
{
"id": "jvasp-30231",
"created_at": "2022-09-04T14:38:06.771009Z",
"updated_at": "2022-09-04T14:38:06.771030Z",
"structure_string": "Li4 Co2 Ni4 O12\n1.0\n4.894567 0.032395 -0.001419\n2.461133 4.279402 -0.002378\n0.001725 0.004318 9.587084\nLi Co Ni O\n4 2 4 12\ndirect\n0.333316 0.247141 0.743921 Li\n0.666601 0.251706 0.243914 Li\n0.667032 0.580312 0.743922 Li\n0.332908 0.918533 0.243922 Li\n-0.000232 0.917156 -0.005028 Co\n0.000013 0.581724 0.494969 Co\n0.330520 0.254316 0.003006 Ni\n0.330777 0.913808 0.503001 Ni\n0.669255 0.244563 0.502997 Ni\n0.668998 0.585078 0.003005 Ni\n0.663406 0.253985 0.894424 O\n0.665018 -0.070493 0.105325 O\n0.334570 0.594711 0.105325 O\n0.334821 0.569361 0.605319 O\n0.336331 0.244906 0.394423 O\n0.000059 0.264539 0.605619 O\n0.336105 0.917659 0.894440 O\n-0.000269 0.579032 0.896057 O\n-0.000216 0.234310 0.105625 O\n0.663620 0.581252 0.394431 O\n-0.000014 0.919873 0.396050 O\n0.665272 0.904138 0.605322 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.751366705659397,
"density_atomic": 0.10997524645489788,
"volume": 200.04501657582057,
"volume_molar": 5.47590567343693,
"formula_full": "Li4 Co2 Ni4 O12",
"formula_reduced": "Li2Co(NiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.208098790909091,
"spacegroup": 36
},
{
"id": "jvasp-10077",
"created_at": "2022-09-04T14:38:06.665944Z",
"updated_at": "2022-09-04T14:38:06.665963Z",
"structure_string": "Zr2 Tl2 Cu2 S6\n1.0\n3.735856 0.000000 0.000000\n-1.867928 7.048835 0.000000\n0.000000 -0.000000 9.814151\nZr Tl Cu S\n2 2 2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.255911 0.511824 0.250000 Tl\n0.744089 0.488176 0.750000 Tl\n0.460412 0.920825 0.750000 Cu\n0.539588 0.079175 0.250000 Cu\n0.376127 0.752253 0.549088 S\n0.623874 0.247746 0.450912 S\n0.623874 0.247746 0.049088 S\n0.061687 0.123374 0.750000 S\n0.938314 0.876625 0.250000 S\n0.376127 0.752253 0.950912 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Zr",
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl-Zr",
"density": 5.851437955171302,
"density_atomic": 0.0464323899221221,
"volume": 258.4402831757484,
"volume_molar": 12.969698027821806,
"formula_full": "Zr2 Tl2 Cu2 S6",
"formula_reduced": "ZrTlCuS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.4675262583333335,
"spacegroup": 63
},
{
"id": "jvasp-52207",
"created_at": "2022-09-04T14:38:19.622547Z",
"updated_at": "2022-09-04T14:38:19.622568Z",
"structure_string": "Li1 Ti1 P2 O7\n1.0\n3.288623 4.134178 0.023121\n-3.288623 4.134178 -0.023121\n-1.096202 0.000000 4.434063\nLi Ti P O\n1 1 2 7\ndirect\n0.749915 0.749915 0.000000 Li\n0.125461 0.125461 0.000000 Ti\n0.252456 0.668437 0.588899 P\n0.668437 0.252456 0.411101 P\n0.071822 0.814109 0.289925 O\n0.346262 0.844794 0.799335 O\n0.129263 0.466152 0.745320 O\n0.526178 0.526178 0.500000 O\n0.466152 0.129263 0.254680 O\n0.844795 0.346262 0.200664 O\n0.814110 0.071822 0.710074 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 3.1450198741145075,
"density_atomic": 0.09107587774926383,
"volume": 120.7784132510204,
"volume_molar": 6.612223685155401,
"formula_full": "Li1 Ti1 P2 O7",
"formula_reduced": "LiTiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.777812166666666,
"spacegroup": 5
},
{
"id": "jvasp-110199",
"created_at": "2022-09-04T14:38:18.977533Z",
"updated_at": "2022-09-04T14:38:18.977557Z",
"structure_string": "Nb3 Sn1 Ge1 Mo3\n1.0\n5.143372 -0.002414 0.007274\n0.007260 5.143367 0.007274\n-0.002418 -0.002414 5.143376\nNb Sn Ge Mo\n3 1 1 3\ndirect\n0.255574 0.998301 0.500579 Nb\n0.998300 0.500581 0.255573 Nb\n0.500580 0.255576 0.998300 Nb\n0.998809 0.998812 0.998809 Sn\n0.499938 0.499940 0.499938 Ge\n0.747484 0.998724 0.500590 Mo\n0.998722 0.500592 0.747484 Mo\n0.500590 0.747486 0.998722 Mo\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Nb",
"Sn",
"Ge",
"Mo"
],
"chemical_system": "Ge-Mo-Nb-Sn",
"density": 9.249328253518915,
"density_atomic": 0.058795677370318156,
"volume": 136.0644244238037,
"volume_molar": 10.242488953856599,
"formula_full": "Nb3 Sn1 Ge1 Mo3",
"formula_reduced": "Nb3SnGeMo3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 5.17278919375,
"spacegroup": 146
},
{
"id": "jvasp-88839",
"created_at": "2022-09-04T14:38:12.052681Z",
"updated_at": "2022-09-04T14:38:12.052706Z",
"structure_string": "Sr4 Cd2 W2 O12\n1.0\n5.813143 0.000000 0.000000\n0.000000 5.956277 0.000000\n0.000000 0.000000 8.268612\nSr Cd W O\n4 2 2 12\ndirect\n0.000000 0.511715 0.256893 Sr\n0.000000 0.511715 0.743107 Sr\n0.500000 0.950287 0.243107 Sr\n0.500000 0.950287 0.756893 Sr\n0.500000 0.464848 0.000000 Cd\n0.000000 -0.002849 0.500000 Cd\n0.000000 0.974363 0.000000 W\n0.500000 0.487636 0.500000 W\n0.232474 0.736877 0.000000 O\n0.767526 0.736877 0.000000 O\n0.500000 0.506072 0.732624 O\n0.261182 0.269161 0.500000 O\n0.738818 0.269161 0.500000 O\n0.267526 0.725123 0.500000 O\n0.732473 0.725123 0.500000 O\n0.000000 0.955930 0.232627 O\n0.000000 0.955930 0.767373 O\n0.500000 0.506072 0.267376 O\n0.238821 0.192838 0.000000 O\n0.761179 0.192838 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"W",
"O"
],
"chemical_system": "Cd-O-Sr-W",
"density": 6.582893210083024,
"density_atomic": 0.06985725063299739,
"volume": 286.2981268053643,
"volume_molar": 8.620638094731163,
"formula_full": "Sr4 Cd2 W2 O12",
"formula_reduced": "Sr2CdWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.062871337,
"spacegroup": 59
},
{
"id": "jvasp-11477",
"created_at": "2022-09-04T14:38:04.472721Z",
"updated_at": "2022-09-04T14:38:04.472747Z",
"structure_string": "Al1 Tl1 Mo2 O8\n1.0\n2.799827 -4.849443 -0.000000\n2.799827 4.849443 0.000000\n0.000000 0.000000 7.323468\nAl Tl Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Tl\n0.666667 0.333334 0.770517 Mo\n0.333334 0.666667 0.229483 Mo\n0.841560 0.683120 0.847425 O\n0.841560 0.158441 0.847425 O\n0.316881 0.158441 0.847425 O\n0.683120 0.841560 0.152576 O\n0.333334 0.666667 0.466650 O\n0.666667 0.333334 0.533350 O\n0.158441 0.316881 0.152576 O\n0.158441 0.841560 0.152576 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Al",
"Tl",
"Mo",
"O"
],
"chemical_system": "Al-Mo-O-Tl",
"density": 4.602777820306391,
"density_atomic": 0.060340847520875325,
"volume": 198.870259418357,
"volume_molar": 9.980205793292178,
"formula_full": "Al1 Tl1 Mo2 O8",
"formula_reduced": "AlTl(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0957979333333334,
"spacegroup": 164
},
{
"id": "jvasp-108592",
"created_at": "2022-09-04T14:38:19.656856Z",
"updated_at": "2022-09-04T14:38:19.656880Z",
"structure_string": "Rb2 Ru1 Au1 F6\n1.0\n5.416144 -0.000000 3.127012\n1.805381 5.106390 3.127012\n-0.000000 -0.000000 6.254025\nRb Ru Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Ru\n0.499999 0.500000 0.499999 Au\n0.228770 0.228771 0.771229 F\n0.228770 0.771229 0.771229 F\n0.771229 0.771229 0.228770 F\n0.228770 0.771229 0.228770 F\n0.771229 0.228771 0.771229 F\n0.771229 0.228771 0.228770 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ru",
"Au",
"F"
],
"chemical_system": "Au-F-Rb-Ru",
"density": 5.596622134222348,
"density_atomic": 0.05781442405855206,
"volume": 172.96721644882967,
"volume_molar": 10.416329243202396,
"formula_full": "Rb2 Ru1 Au1 F6",
"formula_reduced": "Rb2RuAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0632939765,
"spacegroup": 225
},
{
"id": "jvasp-109459",
"created_at": "2022-09-04T14:38:05.365200Z",
"updated_at": "2022-09-04T14:38:05.365225Z",
"structure_string": "K2 In1 Ga1 F6\n1.0\n5.496954 -0.000000 3.173668\n1.832318 5.182578 3.173668\n-0.000000 -0.000000 6.347336\nK In Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.500000 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Ga\n0.266213 0.266213 0.733787 F\n0.266213 0.733787 0.733787 F\n0.733786 0.733787 0.266214 F\n0.266213 0.733787 0.266214 F\n0.733786 0.266213 0.733788 F\n0.733786 0.266213 0.266214 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Ga",
"F"
],
"chemical_system": "F-Ga-In-K",
"density": 3.459533825044695,
"density_atomic": 0.055301964822902366,
"volume": 180.82540162946742,
"volume_molar": 10.889560215961863,
"formula_full": "K2 In1 Ga1 F6",
"formula_reduced": "K2InGaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-59191",
"created_at": "2022-09-04T14:38:12.072184Z",
"updated_at": "2022-09-04T14:38:12.072209Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n5.233924 -0.127711 -0.931598\n1.260227 5.081545 0.931598\n-0.213377 0.279723 9.272495\nLi Fe P O\n2 2 4 14\ndirect\n0.282196 0.345402 0.518948 Li\n0.654597 0.717805 0.018948 Li\n0.722781 0.637022 0.481376 Fe\n0.362978 0.277220 0.981376 Fe\n0.806904 0.205260 0.292192 P\n0.189481 0.790932 0.704358 P\n0.794739 0.193095 0.792191 P\n0.209068 0.810519 0.204357 P\n0.075429 0.606438 0.612837 O\n0.928295 0.936806 0.748736 O\n0.998568 0.302596 0.885881 O\n0.606235 0.095841 0.885586 O\n0.063192 0.071704 0.248736 O\n0.904158 0.393764 0.385587 O\n0.393561 0.924569 0.112838 O\n0.607826 0.362507 0.143881 O\n0.014638 0.692089 0.116991 O\n0.637495 0.392174 0.643880 O\n0.370472 0.627924 0.859214 O\n0.307910 0.985361 0.616991 O\n0.697401 0.001432 0.385882 O\n0.372073 0.629526 0.359214 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.2033369562476026,
"density_atomic": 0.08963841194760272,
"volume": 245.43049706034384,
"volume_molar": 6.718259091337076,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.772115545454545,
"spacegroup": 9
},
{
"id": "jvasp-85668",
"created_at": "2022-09-04T14:38:17.851618Z",
"updated_at": "2022-09-04T14:38:17.851653Z",
"structure_string": "Mn2 H4 Se2 O10\n1.0\n3.154400 4.132691 -1.635269\n-3.154400 4.132691 1.635269\n0.068154 0.000000 7.882406\nMn H Se O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.417713 0.160290 0.794193 H\n0.160289 0.417714 0.705808 H\n0.582286 0.839710 0.205807 H\n0.839710 0.582286 0.294193 H\n0.838070 0.838071 0.750000 Se\n0.161929 0.161929 0.250000 Se\n0.405155 0.159928 0.157535 O\n0.159928 0.405155 0.342465 O\n0.594844 0.840073 0.842465 O\n0.840072 0.594845 0.657536 O\n0.132801 0.768568 0.922049 O\n0.867198 0.231432 0.077952 O\n0.768567 0.132802 0.577952 O\n0.359639 0.359640 0.750000 O\n0.231432 0.867199 0.422049 O\n0.640360 0.640360 0.250000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Mn",
"H",
"Se",
"O"
],
"chemical_system": "H-Mn-O-Se",
"density": 3.4735448436357785,
"density_atomic": 0.08719502448798341,
"volume": 206.43379717704684,
"volume_molar": 6.90651880123037,
"formula_full": "Mn2 H4 Se2 O10",
"formula_reduced": "MnH2SeO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.890672012005108,
"spacegroup": 15
},
{
"id": "jvasp-47127",
"created_at": "2022-09-04T14:38:06.665404Z",
"updated_at": "2022-09-04T14:38:06.665423Z",
"structure_string": "Li3 Si1 Ni3 O8\n1.0\n0.000000 5.041935 -0.020995\n5.557870 0.000000 0.000000\n0.000000 -1.879139 -4.730441\nLi Si Ni O\n3 1 3 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.499999 0.756285 -0.000000 Li\n0.499999 0.243715 -0.000000 Li\n0.499999 0.000000 0.499999 Si\n-0.000000 0.753800 0.500000 Ni\n-0.000000 0.246200 0.500000 Ni\n0.499999 0.500000 0.499999 Ni\n0.728647 0.000000 0.297749 O\n0.763357 0.500000 0.280178 O\n0.716639 0.759883 0.716160 O\n0.283359 0.759883 0.283839 O\n0.716639 0.240117 0.716160 O\n0.271352 0.000000 0.702250 O\n0.236642 0.500000 0.719821 O\n0.283359 0.240117 0.283839 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 4.414473776199293,
"density_atomic": 0.11297080038546212,
"volume": 132.77767306967144,
"volume_molar": 5.330705580072151,
"formula_full": "Li3 Si1 Ni3 O8",
"formula_reduced": "Li3SiNi3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.1719675866666672,
"spacegroup": 10
}
]
}